1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine

C12H18N6OS — CID 116807673

IUPAC1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc(N3CCN(C)CC3)no2)cs1
InChIInChI=1S/C12H18N6OS/c1-8(13)11-14-9(7-20-11)10-15-12(16-19-10)18-5-3-17(2)4-6-18/h7-8H,3-6,13H2,1-2H3
InChIKeyZZDVBQAWZMXDHQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.96
Rot. Bonds3

About 1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine

1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 116807673) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
PubChem CID116807673
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc(N3CCN(C)CC3)no2)cs1
InChIInChI=1S/C12H18N6OS/c1-8(13)11-14-9(7-20-11)10-15-12(16-19-10)18-5-3-17(2)4-6-18/h7-8H,3-6,13H2,1-2H3
InChIKeyZZDVBQAWZMXDHQ-UHFFFAOYSA-N
XLogP0.96
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66374418
1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 79078237
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 116808037
5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112632032
5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799668
[4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807104
6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116807815
1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66375198
1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66373866
3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921033
1-[4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66374434
1-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66373078

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (CID 116807673) is 1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2nc(N3CCN(C)CC3)no2)cs1.
What is the InChIKey of 1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is ZZDVBQAWZMXDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-8(13)11-14-9(7-20-11)10-15-12(16-19-10)18-5-3-17(2)4-6-18/h7-8H,3-6,13H2,1-2H3.
What are the key properties of 1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 294.38 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 116807673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).